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4-Methyl-2-propyl-1,3-dioxolane
CCCC1OCC(O1)C
InChI=1S/C7H14O2/c1-3-4-7-8-5-6(2)9-7/h6-7H,3-5H2,1-2H3
WRTYJFJOOTWPJP-UHFFFAOYSA-N
CSID:88688, http://www.chemspider.com/Chemical-Structure.88688.html (accessed 02:20, Apr 26, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 1.51 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 156.02 (Adapted Stein & Brown method) Melting Pt (deg C): -33.63 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.93 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 4712 log Kow used: 1.51 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 11560 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.93E-005 atm-m3/mole Group Method: 2.68E-005 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.429E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.51 (KowWin est) Log Kaw used: -2.548 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.058 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.0092 Biowin2 (Non-Linear Model) : 0.0033 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8941 (weeks ) Biowin4 (Primary Survey Model) : 3.6404 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4720 Biowin6 (MITI Non-Linear Model): 0.3609 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1733 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 480 Pa (3.6 mm Hg) Log Koa (Koawin est ): 4.058 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 6.25E-009 Octanol/air (Koa) model: 2.81E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.26E-007 Mackay model : 5E-007 Octanol/air (Koa) model: 2.24E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 22.2866 E-12 cm3/molecule-sec Half-Life = 0.480 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.759 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 3.63E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.483 Log Koc: 0.395 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Rate constants can NOT be estimated for this structure! Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.463 (BCF = 2.903) log Kow used: 1.51 (estimated) Volatilization from Water: Henry LC: 6.93E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 10.8 hours Half-Life from Model Lake : 213.5 hours (8.897 days) Removal In Wastewater Treatment: Total removal: 5.44 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.83 percent Total to Air: 3.52 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 2.33 11.5 1000 Water 39.1 360 1000 Soil 58.5 720 1000 Sediment 0.0933 3.24e+003 0 Persistence Time: 300 hr
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